5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine

C7H7BrF3N3 — CID 130935208

IUPAC5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine
SMILESCC(Nc1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3/c1-4(7(9,10)11)14-6-3-12-5(8)2-13-6/h2-4H,1H3,(H,13,14)
InChIKeyMXCWGBAVFQMQBR-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine

5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine (PubChem CID 130935208) has the molecular formula C7H7BrF3N3 and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine
PubChem CID130935208
Molecular FormulaC7H7BrF3N3
Molecular Weight270.05 g/mol
Exact Mass268.98
IUPAC Name5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine
SMILESCC(Nc1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3/c1-4(7(9,10)11)14-6-3-12-5(8)2-13-6/h2-4H,1H3,(H,13,14)
InChIKeyMXCWGBAVFQMQBR-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
CID 103513843
5-bromo-N-(2-methylpentan-2-yl)pyrazin-2-amine
CID 130540501
1-[(5-bromopyrazin-2-yl)amino]-2-methylbutan-2-ol
CID 126979873
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
N-(5-bromopyrazin-2-yl)-3-(dimethylamino)propanamide
CID 130934533
2-bromo-5-(trifluoromethylsulfinyl)pyrazine
CID 75529913
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
CID 170589849
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475756
(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine
CID 129408237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine (CID 130935208) is 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine is CC(Nc1cnc(Br)cn1)C(F)(F)F.
What is the InChIKey of 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine?
The InChIKey is MXCWGBAVFQMQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3/c1-4(7(9,10)11)14-6-3-12-5(8)2-13-6/h2-4H,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine?
5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine has a molecular weight of 270.05 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 130935208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).